N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide

C14H24N2O — CID 106121317

IUPACN-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESNC1CCC(CNC(=O)C2C3CCCCC32)C1
InChIInChI=1S/C14H24N2O/c15-10-6-5-9(7-10)8-16-14(17)13-11-3-1-2-4-12(11)13/h9-13H,1-8,15H2,(H,16,17)
InChIKeyOWFVSFTTYOJDQF-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.67
Rot. Bonds3

About N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide

N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 106121317) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID106121317
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESNC1CCC(CNC(=O)C2C3CCCCC32)C1
InChIInChI=1S/C14H24N2O/c15-10-6-5-9(7-10)8-16-14(17)13-11-3-1-2-4-12(11)13/h9-13H,1-8,15H2,(H,16,17)
InChIKeyOWFVSFTTYOJDQF-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106121226
N-[(3-aminocyclopentyl)methyl]oxane-2-carboxamide
CID 106121843
1-[[(1S,3R)-3-aminocyclopentyl]methyl]-3-cyclopentylurea
CID 165447997
N-[(3-aminocyclohexyl)methyl]adamantane-2-carboxamide
CID 106123817
N-[(3-aminocyclopentyl)methyl]-2-cyclopropylacetamide
CID 83619287
(1S,2S,3S,7S,8R,10R)-N-(cyclopropylmethyl)pentacyclo[4.4.0.02,4.03,7.08,10]decane-9-carboxamide
CID 124723653
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 106121672
N-[(3-aminocyclohexyl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 114146502
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79208729
N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide
CID 123690704

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 106121317) is N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide is NC1CCC(CNC(=O)C2C3CCCCC32)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is OWFVSFTTYOJDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c15-10-6-5-9(7-10)8-16-14(17)13-11-3-1-2-4-12(11)13/h9-13H,1-8,15H2,(H,16,17).
What are the key properties of N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 106121317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).